2012/2/6 Jos? Alberto Pires Fernandes <jafernandes at ua.pt>: > Hello Giuseppe > > Please considere that in > http://www.quantum-espresso.org/pseudo.php > > the only pseudopotentials available for Cl are > > Cl.blyp-mt.UPF > Cl.pw91-mt.UPF > Cl.pz-bhs.UPF > Cl.pbe-n-van.UPF > > ?From these pseudopotentials I could find similar for C > and O: > > C.blyp.mt.UPF > > and > > O.blyp.mt.UPF > > but no one in common for hydrogen.
H.blyp-vbc.UPF is consistent with the "mt" potentials, since it is a norm-conserving potential as well. axel. > > > Jos? Fernandes > Departamento de Quimica > Universidade de Aveiro > 3810-193 Aveiro > Portugal > Tel: +351234370720 > Fax: +351234370084 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer akohlmey at gmail.com ?http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
